4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl (2E,6E,11Z)-2-hexanoyl-8-oxidanylidene-pentadeca-2,6,11-trienoate

Systemtic Name: 4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl (2E,6E,11Z)-2-hexanoyl-8-oxidanylidene-pentadeca-2,6,11-trienoate Openeye Name: 4-(tert-butoxycarbonylamino)butyl (2E,6E,11Z)-2-hexanoyl-8-oxo-pentadeca-2,6,11-trienoate CAS Name: (2E,6E,11Z)-8-oxo-2-(1-oxohexyl)pentadeca-2,6,11-trienoic acid 4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butyl ester IUPAC Name: 4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl (2E,6E,11Z)-2-hexanoyl-8-oxopentadeca-2,6,11-trienoate Traditional Name: (2E,6E,11Z)-2-caproyl-8-keto-pentadeca-2,6,11-trienoic acid 4-(tert-butoxycarbonylamino)butyl ester Formula: C30H49NO6 MolecularWeight: 519.71316

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C(=CCCC=CC(=O)CCC=CCCC)C(=O)OCCCCNC(=O)OC(C)(C)C

Isomeric SMILES

CCCCCC(=O)/C(=C\CC/C=C/C(=O)CC/C=C\CCC)/C(=O)OCCCCNC(=O)OC(C)(C)C

InChI

InChI=1S/C30H49NO6/c1-6-8-10-11-14-19-25(32)20-15-12-16-21-26(27(33)22-13-9-7-2)28(34)36-24-18-17-23-31-29(35)37-30(3,4)5/h10-11,15,20-21H,6-9,12-14,16-19,22-24H2,1-5H3,(H,31,35)/b11-10-,20-15+,26-21+